4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride

C11H23ClN2O — CID 117227627

IUPAC4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C2CCN(C(C)C)C2)N1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-8(2)13-5-4-10(6-13)11-12-9(3)7-14-11;/h8-12H,4-7H2,1-3H3;1H
InChIKeyJSKCMRWENDMDGK-UHFFFAOYSA-N
MW234.77 g/mol
LogP1.47
Rot. Bonds2

About 4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride

4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227627) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is 4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227627
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C2CCN(C(C)C)C2)N1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-8(2)13-5-4-10(6-13)11-12-9(3)7-14-11;/h8-12H,4-7H2,1-3H3;1H
InChIKeyJSKCMRWENDMDGK-UHFFFAOYSA-N
XLogP1.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride
CID 117227683
5-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazinane
CID 117226185
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
2-methyltellanyl-5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 171800016
(1R,6R)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 176597082
4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227855
4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227601
4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
CID 117227891
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
1-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 171743044
(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
CID 168910991

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride (CID 117227627) is 4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride is CC1COC(C2CCN(C(C)C)C2)N1.Cl.
What is the InChIKey of 4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is JSKCMRWENDMDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.ClH/c1-8(2)13-5-4-10(6-13)11-12-9(3)7-14-11;/h8-12H,4-7H2,1-3H3;1H.
What are the key properties of 4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride?
4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride has a molecular weight of 234.77 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).